Structure of PDB 5fuj Chain A Binding Site BS02

Receptor Information
>5fuj Chain A (length=236) Species: 182057 (Marasmius rotula) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SAHPWKAPGPNDSRGPCPGLNTLANHGFLPRNGRNISVPMIVKAGFEGYN
VQSDILILAGKIGMLTSREADTISLEDLKLHGTIEHDASLSREDVAIGDN
LHFNEAIFTTLANSNPGADVYNISSAAQVQHDRLADSLARNPNVTNTDLT
ATIRSSESAFFLTVMSAGDPLRGEAPKKFVNVFFREERMPIKEGWKRSTT
PITIPLLGPIIERITELSDWKPTGDNCGAIVLSPEL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5fuj Chain A Residue 353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5fuj Crystallization of a Dimeric Heme Peroxygenase
Resolution1.83 Å
Binding residue
(original residue number in PDB)		E85 H86 S89
Binding residue
(residue number reindexed from 1)		E85 H86 S89
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) H86 D87
Catalytic site (residue number reindexed from 1) H86 D87
Enzyme Commision number 1.11.2.1: unspecific peroxygenase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0046872 metal ion binding
Biological Process
GO:0098869 cellular oxidant detoxification

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Molecular Function
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Biological Process
External links
PDB RCSB:5fuj, PDBe:5fuj, PDBj:5fuj
PDBsum5fuj
PubMed
UniProtA0A023H437

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